5-[(4-phenacylsulfanyl-5-phenyl-1,2,3-triazol-1-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-phenacylsulfanyl-5-phenyl-1,2,3-triazol-1-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-phenacylsulfanyl-5-phenyl-triazol-1-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile CAS Name: 5-[[4-(phenacylthio)-5-phenyl-1-triazolyl]methylthio]-1,3-diphenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-phenacylsulfanyl-5-phenyltriazol-1-yl)methylsulfanyl]-1,3-diphenylpyrazole-4-carbonitrile Traditional Name: 5-[[4-(phenacylthio)-5-phenyl-triazol-1-yl]methylthio]-1,3-diphenyl-pyrazole-4-carbonitrile Formula: C33H24N6OS2 MolecularWeight: 584.71326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2CSC3=C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2CSC3=C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H24N6OS2/c34-21-28-30(25-15-7-2-8-16-25)36-39(27-19-11-4-12-20-27)33(28)42-23-38-31(26-17-9-3-10-18-26)32(35-37-38)41-22-29(40)24-13-5-1-6-14-24/h1-20H,22-23H2